Detailed information for compound 513211

Basic information

Technical information
  • TDR Targets ID: 513211
  • Name: disodium 2-(2,4,5,7-tetrabromo-3-oxido-6-oxox anthen-9-yl)benzoate
  • MW: 691.854 | Formula: C20H6Br4Na2O5
  • H donors: 0 H acceptors: 4 LogP: 6.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: [O-]C(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2c1cc(Br)c(=O)c2Br)Br)[O-].[Na+].[Na+]
  • InChi: 1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
  • InChiKey: SEACYXSIPDVVMV-UHFFFAOYSA-L  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • disodium 2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-xanthen-9-yl)benzoate
  • disodium 2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-9-xanthenyl)benzoate
  • disodium 2-(2,4,5,7-tetrabromo-3-oxidanidyl-6-oxo-xanthen-9-yl)benzoate
  • disodium 2-(2,4,5,7-tetrabromo-3-keto-6-oxido-xanthen-9-yl)benzoate
  • Eosine Yellowish-(YS)
  • Eosine I Bluish
  • 122199-14-8
  • 12777-83-2
  • 1340-15-4
  • 198831-98-0
  • 37361-24-3
  • 84932-33-2
  • 95917-83-2
  • 548-26-5
  • 17372-87-1
  • E4382_SIAL
  • Bromo acid J. TS, XL, or XX
  • Bronze Bromo ES
  • Eosine DWC 73
  • 2',4',5',7'-Tetrabromofluorescein disodium salt
  • 2,4,5,7-Tetrabromofluorescein
  • Acid red 87
  • Basacid Red 316
  • Bromo X 100
  • Bromofluorescein
  • CCRIS 6032
  • CI 45380 (Na salt)
  • Cerven kysela 87 [Czech]
  • D&C Red No. 22
  • Dawn red
  • Disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate
  • Disodium eosin
  • EINECS 241-409-6
  • Eosin A
  • Eosin OJ
  • Eosin disodium salt
  • Eosin gelblich [German]
  • Eosine Extra Yellowish
  • Eosine GH
  • Eosine K
  • Eosine S13 (bluish)
  • Eosine sodium salt
  • Fenazo Eoxine XG
  • Fluorescein, 2',4',5',7'-tetrabromo-, disodium salt
  • Japan Red 103
  • Japan Red 230-1
  • Morning red
  • Orient Water Red 2
  • Red No. 103
  • Red No. 230-1
  • Sodium eosinate
  • Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-, 2Na
  • Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-, disodium salt
  • Water Red 2
  • 45235_FLUKA
  • Eosin- Y disodium salt
  • 45240_FLUKA
  • Eosine GF
  • disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
  • Eosine J
  • 2,4,5,7-Tetrabromo-3,6-fluorandiol
  • 11445 Red
  • 11731 Red
  • 1903 Yellow Pink
  • 2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9- '-(9H)xanthen)-3-one, disodium salt
  • Aizen eosine GH
  • BENZOIC ACID, 2-(2,4,5,7-TETRABROMO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-, DISODIUM
  • Benzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-, disodium salt
  • Bromo 4D
  • Bromo 4DC
  • Bromo 4DL
  • Bromo B
  • Bromo FL
  • Bromo Fluorescein
  • Bromo JPS
  • Bromo TS
  • Bromo X-100
  • Bromo XX
  • Bromo acid
  • Bromoeosine
  • Bronze Bromo
  • C.I. 45380
  • C.I. Acid Red 87
  • Certiqual Eosine
  • D & C Red no. 22
  • D and C Red No. 22
  • Eosin Y
  • Eosin YS
  • Eosin yellowish
  • Eosine 3G
  • Eosine 3Y
  • Eosine A
  • Eosine B
  • Eosine BPC
  • Eosine BS
  • Eosine BS-SF
  • Eosine DA
  • Bromofluoresceic acid
  • Eosine Extra Conc. A. Export
  • Eosine FA
  • Eosine G
  • Eosin
  • Eosine
  • Eosine K Salt Free
  • Eosine Lake Red Y
  • Eosine OJ
  • Eosine S 13
  • Eosine Salt Free
  • Eosine Y
  • Eosine YB
  • Tetrabromofluorescein
  • Eosine Yellowish
  • Eosine w/s
  • Fenazo eosine XG
  • Fluorescein, 2',4',5',7'-tetrabromo-, disodium salt (Benzoic acid tautomeric form)
  • Hidacid Boiling Bromo
  • Hidacid Bromo acid regular
  • Hidacid Dibromo Fluorescein
  • Hidacid Eosine Soda Salt
  • Hidacid White Bromo
  • Irgalite Bronze Red CL
  • NSC 2087
  • Phlox Red Toner X-1354
  • Phloxine Red 20-7600
  • Phloxine Toner B
  • Pure Eosine YY
  • Sodium eosine
  • Symuler Eosin Toner
  • Tetrabromofluorescein D
  • Tetrabromofluorescein S
  • Tetrabromofluorescein soluble
  • Toyo Eosine G
  • Eosine YS
  • E6003_SIAL
  • 2′,4′,5′,7′-Tetrabromofluorescein disodium salt
  • 318906_SIAL
  • Eosin yellowish solution
  • Eosin- Y solution
  • AIDS-044164
  • AIDS044164

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor delta Starlite/ChEMBL No references
Homo sapiens androgen receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0021 0.0558 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0558 0.0558
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0558 0.0558
Schistosoma mansoni hypothetical protein 0.0043 0.3645 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0558 1
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0558 0.1532
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0558 0.1532
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0558 0.0558
Brugia malayi hypothetical protein 0.0043 0.3645 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0558 0.1532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0558 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0558 0.1532
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0558 0.1532
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0558 0.1532
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0558 0.0558
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0558 0.1532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0558 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0558 0.0558
Echinococcus multilocularis Ankyrin 0.0018 0.0021 0.0021
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0558 0.1532
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0558 0.0558
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0021 0.0558 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0558 0.1532
Entamoeba histolytica hypothetical protein 0.0043 0.3645 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0558 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0558 0.1532
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0558 0.1532
Entamoeba histolytica hypothetical protein 0.0043 0.3645 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0558 0.1532
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0558 0.0558
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0558 0.1532
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0021 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0558 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0558 0.1532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0558 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0558 0.1532
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0558 0.1532
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0558 0.1532
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0558 0.1532
Echinococcus granulosus Ankyrin 0.0018 0.0021 0.0021
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0558 0.1532
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0558 0.0558
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0558 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0558 0.0558
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0558 0.0558
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0558 0.1532
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0558 0.1532
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0558 0.1532
Loa Loa (eye worm) hypothetical protein 0.0021 0.0558 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0021 0.0558 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.3645 0.3645
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0558 0.0558
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0558 0.1532
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0558 0.5
Brugia malayi nuclear hormone receptor 0.0021 0.0558 0.1532
Loa Loa (eye worm) hypothetical protein 0.0021 0.0558 1
Entamoeba histolytica hypothetical protein 0.0043 0.3645 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0558 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0558 0.1532
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0558 1
Brugia malayi ecdysteroid receptor 0.0021 0.0558 0.1532
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0558 0.1532
Brugia malayi steroid hormone receptor 0.0021 0.0558 0.1532
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0558 0.0558
Schistosoma mansoni coup transcription factor 0.0021 0.0558 0.1532
Loa Loa (eye worm) hypothetical protein 0.0021 0.0558 1
Entamoeba histolytica hypothetical protein 0.0043 0.3645 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0558 0.0558
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0558 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0558 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0558 0.1532
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.3645 0.3645
Onchocerca volvulus 0.0021 0.0558 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0558 0.1532
Brugia malayi nuclear receptor NHR-88 0.0021 0.0558 0.1532
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0558 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0558 0.1532
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0558 0.0558
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.3645 1
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0558 0.0558
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0558 0.0558

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of synthetic amyloid beta42 fibrillization by light scattering analysis relative to control ChEMBL. 17284452
IC50 (binding) = 2787 uM Inhibition of synthetic amyloid beta42 oligomerization by ELISA ChEMBL. 17284452
Inhibition (binding) = -161 % Inhibition of synthetic amyloid beta42 fibrillization by ThT fluorescence analysis relative to control ChEMBL. 17284452
Potency (functional) 3.1495 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.3322 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.9589 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.9301 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3138 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.4961 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9145 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6011 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.847 uM PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.3385 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.654 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.654 uM PubChem BioAssay: Tox21. qHTS assay for small molecule activators of the heat shock response signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.654 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.8857 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.8857 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.8857 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

20 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.